1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen

C11H19N — CID 142256459

IUPAC1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen
SMILESCCNC(C)C1=CCC=CC=C1.[H][H]
InChIInChI=1S/C11H17N.H2/c1-3-12-10(2)11-8-6-4-5-7-9-11;/h4-6,8-10,12H,3,7H2,1-2H3;1H
InChIKeyYGUDOOLBKFLFOF-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.67
Rot. Bonds3

About 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen

1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen (PubChem CID 142256459) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen.

Molecular Properties

Compound Name1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen
PubChem CID142256459
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen
SMILESCCNC(C)C1=CCC=CC=C1.[H][H]
InChIInChI=1S/C11H17N.H2/c1-3-12-10(2)11-8-6-4-5-7-9-11;/h4-6,8-10,12H,3,7H2,1-2H3;1H
InChIKeyYGUDOOLBKFLFOF-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen?
The IUPAC name of 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen (CID 142256459) is 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen.
What is the SMILES notation for 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen?
The canonical SMILES for 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen is CCNC(C)C1=CCC=CC=C1.[H][H].
What is the InChIKey of 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen?
The InChIKey is YGUDOOLBKFLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.H2/c1-3-12-10(2)11-8-6-4-5-7-9-11;/h4-6,8-10,12H,3,7H2,1-2H3;1H.
What are the key properties of 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen?
1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen has a molecular weight of 165.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,4,6-trien-1-yl-N-ethylethanamine;molecular hydrogen is sourced from PubChem (CID 142256459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).